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Bikitaite |
 |
Ferro O, Quartieri S, Vezzalini G, Fois E, Gamba A, Tabacchi G |
 |
American Mineralogist 87 (2002) 1415-1425 |
|
High-pressure behaviour of bikitaite: An integrated theoretical |
|
and experimental approach |
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Sample at P = 1 atm |
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_database_code_amcsd 0002910 |
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8.6061 4.9573 7.5970 89.94 114.407 89.98 P1 |
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atom x y z |
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Li1 .2965 .3307 .1531 |
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Li2 .6648 .8312 .8256 |
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Si11 .0888 .8186 .0680 |
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Si12 .0854 .8013 .4793 |
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Si22 .8563 .2972 .4525 |
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Si23 .6000 .3492 .0473 |
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Al13 .3500 .8515 .9033 |
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Al21 .8730 .3181 .8854 |
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O11 .2427 .6978 .0316 |
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O12 .0577 .1463 .0327 |
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O13 .1365 .7520 .3005 |
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O14 .0231 .5134 .5318 |
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O15 .2414 .9245 .6560 |
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O16 .4411 .1616 .0355 |
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O21 .7020 .2022 .9372 |
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O22 .9016 .6699 .9377 |
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O23 .8065 .2515 .6370 |
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O24 .9173 .0122 .4016 |
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O25 .7047 .4224 .2675 |
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O26 .5217 .6345 .9289 |
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O17 .3951 .2779 .4472 |
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O27 .5634 .7773 .5357 |
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H11 .3186 .2389 .5052 |
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H12 .4695 .1230 .4807 |
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H21 .6439 .7638 .4792 |
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H22 .4995 .6111 .5012 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Bikitaite |
|
Ferro O, Quartieri S, Vezzalini G, Fois E, Gamba A, Tabacchi G |
|
American Mineralogist 87 (2002) 1415-1425 |
|
High-pressure behaviour of bikitaite: An integrated theoretical |
|
and experimental approach |
|
Sample at P = 5.7 GPa |
|
_database_code_amcsd 0002911 |
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8.4932 4.7773 7.2443 90.804 114.794 89.442 P1 |
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atom x y z |
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Li1 .2982 .3199 .1751 |
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Li2 .6555 .8082 .8008 |
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Si11 .0875 .7992 .0723 |
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Si12 .0857 .8384 .4885 |
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Si22 .8606 .3324 .4513 |
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Si23 .5999 .3498 .0468 |
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Al13 .3500 .8508 .9069 |
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Al21 .8677 .2957 .8793 |
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O11 .2411 .6696 .0283 |
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O12 .0674 .1378 .0398 |
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O13 .1467 .7072 .3055 |
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O14 .0085 .5745 .5688 |
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O15 .2398 .9920 .6632 |
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O16 .4527 .1430 .0773 |
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O21 .6992 .1697 .9384 |
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O22 .8984 .6534 .9328 |
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O23 .8008 .2102 .6157 |
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O24 .9351 .0710 .3586 |
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O25 .7098 .4896 .2576 |
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O26 .5004 .6064 .8938 |
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O17 .4031 .2613 .4661 |
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O27 .5533 .7582 .5047 |
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H11 .3385 .2245 .5456 |
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H12 .4725 .0907 .4828 |
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H21 .6213 .7397 .4272 |
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H22 .4943 .5769 .4872 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bikitaite |
|
Ferro O, Quartieri S, Vezzalini G, Fois E, Gamba A, Tabacchi G |
|
American Mineralogist 87 (2002) 1415-1425 |
|
High-pressure behaviour of bikitaite: An integrated theoretical |
|
and experimental approach |
|
Sample at P = 9.0 GPa |
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_database_code_amcsd 0002912 |
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8.231 4.7320 7.1187 92.80 114.99 88.37 P1 |
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atom x y z |
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Li1 .3002 .2841 .1852 |
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Li2 .6485 .7621 .7962 |
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Si11 .0922 .7631 .0853 |
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Si12 .0941 .8915 .4982 |
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Si22 .8544 .3888 .4499 |
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Si23 .5971 .3143 .0367 |
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Al13 .3505 .8238 .9189 |
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Al21 .8657 .2567 .8645 |
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O11 .2467 .6216 .0366 |
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O12 .0772 .0977 .0223 |
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O13 .1479 .7189 .3288 |
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O14 -.0124 .6605 .5707 |
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O15 .2489 .0130 .6971 |
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O16 .4782 .0977 .1010 |
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O21 .6994 .1341 .9276 |
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O22 .8981 .6234 .9468 |
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O23 .7991 .2295 .6001 |
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O24 .9605 .1499 .3580 |
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O25 .7013 .5081 .2480 |
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O26 .4819 .5529 .8559 |
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O17 .4054 .2867 .4742 |
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O27 .5563 .7820 .4981 |
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H11 .3607 .3042 .5785 |
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H12 .4742 .1096 .5030 |
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H21 .6182 .8049 .4166 |
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H22 .4951 .6033 .4604 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bikitaite |
|
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G |
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American Mineralogist 89 (2004) 94-101 |
|
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study |
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Sample: T = 30 C |
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_database_code_amcsd 0003188 |
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8.6121 4.9579 7.6040 89.892 114.423 89.955 P1 |
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atom x y z Biso |
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Li1 .270 .395 .128 4.5 |
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Li2 .659 .876 .831 4.5 |
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Al13 .373 .896 .942 3.0 |
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Al21 .880 .392 .910 3.0 |
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Si11 .086 .871 .100 3.7 |
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Si12 .1038 .8006 .5049 3.7 |
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Si22 .885 .324 .491 3.7 |
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Si23 .607 .385 .068 3.7 |
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O11 .256 .787 .068 3.1 |
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O12 .049 .184 .035 3.1 |
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O13 .152 .848 .328 3.1 |
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O14 .055 .496 .526 3.1 |
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O15 .261 .933 .690 3.1 |
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O16 .423 .228 .020 3.1 |
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O21 .714 .240 .958 2.3 |
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O22 .899 .732 .963 2.3 |
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O23 .828 .345 .667 3.1 |
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O24 .953 .020 .475 3.1 |
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O25 .738 .432 .292 3.1 |
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O26 .543 .678 .973 2.3 |
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Wat17 .412 .366 .413 3.0 |
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Wat27 .583 .849 .541 3.0 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bikitaite |
|
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G |
|
American Mineralogist 89 (2004) 94-101 |
|
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study |
|
Sample: T = 280 C |
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_database_code_amcsd 0003189 |
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8.6140 4.9721 7.5510 89.753 114.273 90.154 P1 |
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atom x y z occ Biso |
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Li1 .286 .374 .128 8.3 |
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Li2 .674 .871 .843 8.3 |
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Al13 .376 .876 .924 1.2 |
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Al21 .883 .376 .896 1.2 |
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Si11 .092 .863 .080 2.2 |
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Si12 .1038 .8006 .5049 2.2 |
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Si22 .886 .321 .487 2.2 |
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Si23 .6120 .363 .059 2.2 |
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O11 .251 .756 .038 2.1 |
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O12 .063 .180 .021 2.1 |
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O13 .134 .834 .309 2.4 |
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O14 .051 .513 .561 2.4 |
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O15 .252 .952 .684 2.4 |
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O16 .437 .195 .018 2.1 |
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O21 .728 .237 .960 2.9 |
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O22 .912 .720 .943 2.9 |
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O23 .806 .352 .646 2.4 |
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O24 .961 .019 .497 2.4 |
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O25 .715 .368 .292 2.4 |
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O26 .554 .667 .980 2.9 |
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Wat17 .398 .277 .411 .66 14. |
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Wat27 .542 .810 .558 .77 14. |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bikitaite |
|
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G |
|
American Mineralogist 89 (2004) 94-101 |
|
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study |
|
Sample: T = 400 |
|
_database_code_amcsd 0003190 |
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8.6269 4.9871 7.5718 89.765 114.097 90.160 P1 |
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atom x y z occ Biso |
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Li1 .314 .356 .160 7.1 |
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Li2 .718 .844 .914 7.1 |
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Al13 .384 .859 .933 3.6 |
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Al21 .889 .336 .899 3.6 |
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Si11 .102 .851 .078 5.6 |
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Si12 .1038 .8006 .5049 5.6 |
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Si22 .883 .292 .484 5.6 |
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Si23 .617 .334 .074 5.6 |
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O11 .246 .706 .020 4.6 |
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O12 .085 .179 .029 4.6 |
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O13 .124 .819 .301 5.0 |
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O14 .024 .522 .538 5.0 |
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O15 .266 .882 .695 5.0 |
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O16 .436 .188 .014 4.6 |
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O21 .723 .242 .951 4.2 |
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O22 .936 .673 .952 4.2 |
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O23 .813 .343 .650 5.0 |
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O24 .946 .985 .489 5.0 |
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O25 .736 .419 .296 5.0 |
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O26 .550 .629 .975 4.2 |
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Wat17 .526 .333 .416 .36 15. |
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Wat27 .633 .793 .625 .41 15. |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bikitaite |
|
Ferro O, Quartieri S, Vezzalini G, Ceriani C, Fois E, Gamba A, Cruciani G |
|
American Mineralogist 89 (2004) 94-101 |
|
Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray diffraction study |
|
Sample: T = 468 |
|
_database_code_amcsd 0003191 |
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8.6274 4.9898 7.5729 89.737 114.072 90.169 P1 |
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atom x y z Biso |
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Li1 .320 .352 .167 7.2 |
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Li2 .718 .859 .911 7.2 |
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Al13 .377 .874 .931 4.1 |
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Al21 .891 .357 .895 4.1 |
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Si11 .105 .866 .090 4.5 |
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Si12 .1038 .8006 .5049 4.5 |
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Si22 .886 .313 .494 4.5 |
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Si23 .618 .367 .068 4.5 |
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O11 .264 .727 .055 4.3 |
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O12 .083 .191 .039 4.3 |
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O13 .135 .808 .310 5.0 |
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O14 .044 .520 .559 5.0 |
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O15 .267 .914 .687 5.0 |
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O16 .445 .190 .018 4.3 |
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O21 .738 .246 .972 4.6 |
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O22 .938 .684 .972 4.6 |
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O23 .795 .326 .644 5.0 |
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O24 .954 .012 .479 5.0 |
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O25 .721 .380 .299 5.0 |
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O26 .559 .673 .997 4.6 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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